2-{[3-(trifluoromethyl)phenyl]thio}benzoic acid

名称

[ CAS 号 ]:
16174-88-2

[ 英文名 ]:
2-{[3-(trifluoromethyl)phenyl]thio}benzoic acid

[英文别名 ]:

2-<3-Trifluormethyl-phenylmercapto>-benzoesaeure

物理化学性质

[ 密度 ]:
1.44g/cm3

[ 沸点 ]:
388.2ºC at 760mmHg

[ 分子式 ]:
C₁₄H₉F₃O₂S

[ 分子量 ]:
298.28000

[ 闪点 ]:
188.5ºC

[ 精确质量 ]:
298.02800

[ PSA ]:
62.60000

[ LogP ]:
4.55480

[ 蒸汽压 ]:
1.01E-06mmHg at 25°C

[ 折射率 ]:
1.6

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH8634000

CHEMICAL NAME :: Benzoic acid, o-((alpha,alpha,alpha-trifluoro-m-tolyl)thio)-

CAS REGISTRY NUMBER :: 16174-88-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H9-F3-O2-S

MOLECULAR WEIGHT :: 298.29

WISWESSER LINE NOTATION :: QVR BSR CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,798,1976

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安全信息

[ 海关编码 ]:
2930909090

合成路线

详细合成路线

海关

[ 海关编码 ]: 2930909090

[ 中文概述 ]:
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%